DIPHENYL-D5-METHYL ALCOHOL (PHENYL-D5)

Base Information

• Chemical Name: DIPHENYL-D5-METHYL ALCOHOL (PHENYL-D5)
• CAS No.: 95450-78-5
• Molecular Formula: C₁₃H₁₂O
• Molecular Weight: 189.198
• Mol file: 95450-78-5.mol

Synonyms:Benzhydrol-2,3,4,5,6-d5(6CI); Phenyl(phenyl-d5)methanol

Chemical Property of DIPHENYL-D5-METHYL ALCOHOL (PHENYL-D5)

Chemical Property:

• PSA: 20.23000
• LogP: 2.76830
• Storage Temp.: Room Temperature, under inert atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

Benzhydrol-d5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DIPHENYL-D5-METHYL ALCOHOL (PHENYL-D5)

There total 4 articles about DIPHENYL-D5-METHYL ALCOHOL (PHENYL-D5) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

bromobenzene-d5 (4165-57-5) + benzaldehyde (100-52-7) → pentadeuterophenyl-phenyl-methanol (95450-78-5,99398-35-3)

Guidance literature:

bromobenzene-d5; With magnesium; In tetrahydrofuran; ethylene dibromide; at 0 - 60 ℃; for 0.75h;

benzaldehyde; In tetrahydrofuran; ethylene dibromide; at 0 ℃; for 0.5h;

DOI:10.1002/anie.201207479

Reference yield:

benzene-d6 (1076-43-3) + benzaldehyde (100-52-7) → pentadeuterophenyl-phenyl-methanol (95450-78-5,99398-35-3) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With calcium; Yield given. Multistep reaction. Yields of byproduct given; 1) 900 deg C, 0.005 Torr, 2) 1 h, r.t., 0.005 Torr;

DOI:10.1246/cl.1984.1989

Reference yield:

C17H14(2)H5NOS + 3-phenyl-5H-1,4,2-dioxazol-5-one (19226-36-9) → 2,4-diphenylquinazoline-d5 + pentadeuterophenyl-phenyl-methanol (95450-78-5,99398-35-3)

Guidance literature:

C₁₇H₁₄⁽²⁾H₅NOS; 3-phenyl-5H-1,4,2-dioxazol-5-one; With carbonyl(pentamethylcyclopentadienyl)cobalt diiodide; silver(I) triflimide; In 1,2-dichloro-ethane; at 120 ℃; for 0.5h; Inert atmosphere; Sealed tube;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 0.5h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.6b00227

upstream raw materials:

bromobenzene-d5

benzaldehyde

benzene-d6

3-phenyl-5H-1,4,2-dioxazol-5-one

Downstream raw materials:

1-benzylbenzene-2,3,4,5,6-d₅

2,3,4,5,6-Pentadeuteriobenzophenon

C₁₃H₅⁽²⁾H₅O₂

C₁₃H₆⁽²⁾H₄O₂

Refernces

• 1、 Maiti, Debabrata,Halder, Atreyee,De Sarkar, Suman. "Base-Promoted Aerobic Oxidation/Homolytic Aromatic Substitution Cascade toward the Synthesis of Phenanthridines". supporting information. p. 4941 - 4948. Retrieved 2019/11/03.
• 2、 Mo, Fanyang,Trzepkowski, Louis J.,Dong, Guangbin. "Synthesis of ortho-acylphenols through the palladium-catalyzed ketone-directed hydroxylation of arenes". supporting information. p. 13075 - 13079. Retrieved 2013/02/25.